tert-butyl 4-[4-(1,3-benzothiazol-6-ylamino)-6-chloranyl-1,3,5-triazin-2-yl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-(1,3-benzothiazol-6-ylamino)-6-chloranyl-1,3,5-triazin-2-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[4-(1,3-benzothiazol-6-ylamino)-6-chloro-1,3,5-triazin-2-yl]piperazine-1-carboxylate CAS Name: 4-[4-(1,3-benzothiazol-6-ylamino)-6-chloro-1,3,5-triazin-2-yl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-(1,3-benzothiazol-6-ylamino)-6-chloro-1,3,5-triazin-2-yl]piperazine-1-carboxylate Traditional Name: 4-[4-(1,3-benzothiazol-6-ylamino)-6-chloro-s-triazin-2-yl]piperazine-1-carboxylic acid tert-butyl ester Formula: C19H22ClN7O2S MolecularWeight: 447.94168

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=NC(=NC(=N2)Cl)NC3=CC4=C(C=C3)N=CS4

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=NC(=NC(=N2)Cl)NC3=CC4=C(C=C3)N=CS4

InChI

InChI=1S/C19H22ClN7O2S/c1-19(2,3)29-18(28)27-8-6-26(7-9-27)17-24-15(20)23-16(25-17)22-12-4-5-13-14(10-12)30-11-21-13/h4-5,10-11H,6-9H2,1-3H3,(H,22,23,24,25)